1-[1-(2,3-dimethylphenyl)-4,4-dimethylpiperidin-3-yl]-N-methylmethanamine

C17H28N2 — CID 117025919

IUPAC1-[1-(2,3-dimethylphenyl)-4,4-dimethylpiperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CN(c2cccc(C)c2C)CCC1(C)C
InChIInChI=1S/C17H28N2/c1-13-7-6-8-16(14(13)2)19-10-9-17(3,4)15(12-19)11-18-5/h6-8,15,18H,9-12H2,1-5H3
InChIKeyQHDVIUXFZSPYHN-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.38
Rot. Bonds3

About 1-[1-(2,3-dimethylphenyl)-4,4-dimethylpiperidin-3-yl]-N-methylmethanamine

1-[1-(2,3-dimethylphenyl)-4,4-dimethylpiperidin-3-yl]-N-methylmethanamine (PubChem CID 117025919) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-[1-(2,3-dimethylphenyl)-4,4-dimethylpiperidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2,3-dimethylphenyl)-4,4-dimethylpiperidin-3-yl]-N-methylmethanamine
PubChem CID117025919
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-[1-(2,3-dimethylphenyl)-4,4-dimethylpiperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CN(c2cccc(C)c2C)CCC1(C)C
InChIInChI=1S/C17H28N2/c1-13-7-6-8-16(14(13)2)19-10-9-17(3,4)15(12-19)11-18-5/h6-8,15,18H,9-12H2,1-5H3
InChIKeyQHDVIUXFZSPYHN-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4,4-dimethyl-1-(2-methylphenyl)piperidin-3-yl]methanol
CID 117025837
1-[4-(2,3-dimethylphenyl)piperazin-2-yl]-N-methylmethanamine
CID 117026938
[4-amino-1-(2,3-dimethylphenyl)piperidin-4-yl]methanol
CID 117012107
1-[1-(3-fluoro-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62513124
1-(4,4-dimethyl-1-propan-2-ylpiperidin-3-yl)-N-methylmethanamine
CID 117025884
2-[1-(2-bromophenyl)-4,4-dimethylpiperidin-3-yl]acetonitrile
CID 117025663
[4,4-dimethyl-1-(2-propan-2-ylphenyl)piperidin-3-yl]methanol
CID 117025849
5,5-dimethyl-4-(methylaminomethyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 117023339
4,4-dimethyl-1-(2-methylphenyl)piperidine-3-carbonitrile
CID 117025414
2-[1-(2,5-dimethylphenyl)-4,4-dimethylpiperidin-3-yl]acetonitrile
CID 117025645
2-[1-(4-bromo-2-methylphenyl)-4,4-dimethylpiperidin-3-yl]ethanol
CID 117025606
[1-(2,3-dimethylphenyl)-2,2-dimethylpiperidin-3-yl]methanol
CID 117019795

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dimethylphenyl)-4,4-dimethylpiperidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2,3-dimethylphenyl)-4,4-dimethylpiperidin-3-yl]-N-methylmethanamine (CID 117025919) is 1-[1-(2,3-dimethylphenyl)-4,4-dimethylpiperidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2,3-dimethylphenyl)-4,4-dimethylpiperidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2,3-dimethylphenyl)-4,4-dimethylpiperidin-3-yl]-N-methylmethanamine is CNCC1CN(c2cccc(C)c2C)CCC1(C)C.
What is the InChIKey of 1-[1-(2,3-dimethylphenyl)-4,4-dimethylpiperidin-3-yl]-N-methylmethanamine?
The InChIKey is QHDVIUXFZSPYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13-7-6-8-16(14(13)2)19-10-9-17(3,4)15(12-19)11-18-5/h6-8,15,18H,9-12H2,1-5H3.
What are the key properties of 1-[1-(2,3-dimethylphenyl)-4,4-dimethylpiperidin-3-yl]-N-methylmethanamine?
1-[1-(2,3-dimethylphenyl)-4,4-dimethylpiperidin-3-yl]-N-methylmethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dimethylphenyl)-4,4-dimethylpiperidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 117025919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).